4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile

C15H12FNO2 — CID 78941631

IUPAC4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
SMILESC[C@@H](O)c1ccc(Oc2ccc(C#N)cc2)c(F)c1
InChIInChI=1S/C15H12FNO2/c1-10(18)12-4-7-15(14(16)8-12)19-13-5-2-11(9-17)3-6-13/h2-8,10,18H,1H3/t10-/m1/s1
InChIKeyHEGWRFZSDLAFKU-SNVBAGLBSA-N
MW257.26 g/mol
LogP3.54
Rot. Bonds3

About 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile

4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile (PubChem CID 78941631) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
PubChem CID78941631
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
SMILESC[C@@H](O)c1ccc(Oc2ccc(C#N)cc2)c(F)c1
InChIInChI=1S/C15H12FNO2/c1-10(18)12-4-7-15(14(16)8-12)19-13-5-2-11(9-17)3-6-13/h2-8,10,18H,1H3/t10-/m1/s1
InChIKeyHEGWRFZSDLAFKU-SNVBAGLBSA-N
XLogP3.54
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[4-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666062
4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile
CID 43285566
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857
4-[4-(1-hydroxyethyl)phenoxy]-3-methoxybenzonitrile
CID 43506373
(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
CID 107169699
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol
CID 63374650
2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372522
3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile
CID 107666140
4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 28876598
(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 63372547
4-[[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]-3-methylbenzonitrile
CID 104930207

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile?
The IUPAC name of 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile (CID 78941631) is 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile.
What is the SMILES notation for 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile?
The canonical SMILES for 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile is C[C@@H](O)c1ccc(Oc2ccc(C#N)cc2)c(F)c1.
What is the InChIKey of 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile?
The InChIKey is HEGWRFZSDLAFKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-10(18)12-4-7-15(14(16)8-12)19-13-5-2-11(9-17)3-6-13/h2-8,10,18H,1H3/t10-/m1/s1.
What are the key properties of 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile?
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile has a molecular weight of 257.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile is sourced from PubChem (CID 78941631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).